An extensible and systematic force field, ESFF, for molecular modeling of organic, inorganic, and organometallic systems

Journal of Computational Chemistry

Volumn 24, Issue 9, 2003, Pages 1059-1076

  Shi, Shenghua ^a   Yan, Lisa ^b   Yang, Yang ^c   Fisher Shaulsky, Jodi ^b   Thacher, Tom ^d  

^a PFIZER GLOBAL RESEARCH AND DEVELOPMENT   (United States)

^b ACCELRYS INC   (United States)

^c FLEXTRONICS INTERNATIONAL   (United States)

^d Deltagen Inc   (United States)

Author keywords

ESFF; Force field; Metalloproteins; Organometallic compounds; Parameterization

Indexed keywords

COMPUTER SIMULATION; CRYSTALS; IONIZATION; ORGANOMETALLICS;

FORCE FIELD;

MOLECULAR DYNAMICS;

INORGANIC COMPOUND; NUCLEOSIDE; ORGANIC COMPOUND; ORGANOMETALLIC COMPOUND; PORPHYRIN;

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY; COMPUTER SIMULATION; CONFORMATION; THERMODYNAMICS;

ALGORITHMS; COMPUTER SIMULATION; INORGANIC CHEMICALS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; NUCLEOSIDES; ORGANIC CHEMICALS; ORGANOMETALLIC COMPOUNDS; PORPHYRINS; THERMODYNAMICS;

EID: 0037833490     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10171     Document Type: Article

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